Structure Reports Online

Volume 68, Part 1 (January 2012)

organic compounds

1H-Imidazol-3-ium-4-carboxylate

Abstract: In the title compound, C4H4N2O2, both imidazole N atoms are protonated and carboxylate group is deprotonated, resulting in a zwitterion. The molecule is essentially planar, with an r.m.s. deviation of 0.012 (1) Å. In the crystal, N-HO hydrogen bonds and - stacking interactions [centroid-centroid distance = 3.674 (2) Å] between the imidazole rings link the molecules into a three-dimensional supramolecular network.

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